Chemical Shift Referencing Worksheet

	A	B	C	D	E
1	Chemical Shift Referencing Worksheet
2	FosterLab 2017-09-01
3	Initially generated by Joe Sachleben
4
5	(For Bruker parameter sets)
6	Assume F1 is 1H	1H
7	Base frequency in MHz (bf1)	600.17	(acqus)
8	F1 carrier offset in HZ (o1)	2820.799	(acqus)
9	F1 Center Frequency (sfo1)	600.1728208	(acqus, and computed from bf1+o1)
10	1H offset of DSS (in Hz)	-35	(measure with a cursor in Topspin)
11	1H frequency of DSS in MHz (0 ppm)	600.169965	(bf1+DSS)
12	(Bruker parameter sf)			Shift of center of 1H domain (ppm)	4.758317088
13
14	F2 nucleus (NUC2, e.g., 13C, 15N, 31P)	13C	(acqus)
15	Reference Frequency ratio for 13C	0.25144953	(table)
16	(relative to DSS)
17	F2 base frequency (bf2)	150.912867	(acqus)
18	F2 frequency offset in Hz (o2)	7847.469084	(acqus)
19	Center Frequency of F2 (sfo2)	150.9207145	(acqus; bf2 + o2)
20	F2 Reference frequency in MHz (0 ppm)	150.9124556		Shift of center of F2 domain (ppm)	54.72609722
21
22	F3 nucleus (e.g., 13C, 15N, 31P)	15N	(acqus)
23	Reference Frequency ratio for F3 nucleus	0.101329118	(table)
24	(relative to DSS for l-NH3)
25	F3 base frequency (bf3)	60.814698	(acqus)
26	F3 offset in Hz (o3)	7145.727015	(acqus)
27	Center Frequency of N domain (sfo3)	60.82184373	(acqus, bf3 + o3)
28	F3 Reference frequency in MHz	60.8146932		Shift of center of F3 domain (ppm)	117.5788793
29
30
31
32	Frequency Ratio Lookup Table:	Nucleus	Ratio	BRMB referencing data:
33	(relative to 1H DSS)	13C	0.25144953	http://www.bmrb.wisc.edu/ref_info/cshift.html
34		15N	0.101329118
35		31P	0.404808636
36		1H	1
37		2H	0.153506088
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100